CAS RN: 2007885-39-2
PAT-1251
Product Availability
Choose a grade to view its available package options.
6 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250529 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2007885-39-2
- Purity/Analytical Methods: >99.0%
2007885-39-2 / [3-[[4-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]methanone
Basic Information
CAS
2007885-39-2
Multi CAS
No
Molecular Formula
C18H17F4N3O3
Molecular Weight
399.300000
Exact Mass
399.120604
SMILES
C1[C@H]([C@@H](CN1C(=O)C2=CC(=CC=C2)OC3=CC(=CC(=N3)C(F)(F)F)CN)F)O
InChI
InChI=1S/C18H17F4N3O3/c19-13-8-25(9-14(13)26)17(27)11-2-1-3-12(6-11)28-16-5-10(7-23)4-15(24-16)18(20,21)22/h1-6,13-14,26H,7-9,23H2/t13-,14-/m1/s1
InChIKey
ODGXXYXJORZPHE-ZIAGYGMSSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
2
Molar refractivity
90.45
TPSA
88.68
LogP / Solubility
WLOGP
2.51
MLOGP
2.23
XLogP3
1.5
Consensus LogP
2.08
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
methyl 6-fluoro-1,2,3,4-tetrahydroisoquinoline-1-carboxylate hydrochloride
- CAS RN: 2007908-42-9
- Product Code: SSC-094652
-
N-METHOXY-N-METHYLCHROMAN-2-CARBOXAMIDE
- CAS RN: 2007908-54-3
- Product Code: starshine_CAS2007908-54-3
- Purity/Analytical method: >99.0%
-
-
-
TERT-BUTYL 3-(1-AMINOCYCLOPROPYL)-1H-INDOLE-1-CARBOXYLATE
- CAS RN: 2007908-87-2
- Product Code: SSC-094657
-
